2,4,6-triphenyl-4H-thiopyran

C23H18S — CID 629780

IUPAC2,4,6-triphenyl-4H-thiopyran
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C23H18S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-17,21H
InChIKeyPOJUGLCYFXHQPP-UHFFFAOYSA-N
MW326.46 g/mol
LogP6.60
Rot. Bonds3

About 2,4,6-triphenyl-4H-thiopyran

2,4,6-triphenyl-4H-thiopyran (PubChem CID 629780) has the molecular formula C23H18S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2,4,6-triphenyl-4H-thiopyran.

Molecular Properties

Compound Name2,4,6-triphenyl-4H-thiopyran
PubChem CID629780
Molecular FormulaC23H18S
Molecular Weight326.46 g/mol
Exact Mass326.11
IUPAC Name2,4,6-triphenyl-4H-thiopyran
SMILESC1=C(c2ccccc2)SC(c2ccccc2)=CC1c1ccccc1
InChIInChI=1S/C23H18S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-17,21H
InChIKeyPOJUGLCYFXHQPP-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.46
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,4,6-triphenyl-4H-thiopyran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-diphenyl-4H-thiopyran-4-yl)-trimethylsilane
CID 12887587
2-phenyl-2H-indene
CID 24940237
4-diethoxyphosphoryl-2,6-diphenyl-4H-thiopyran
CID 12604720
(4-phenylcyclohexa-2,5-dien-1-yl)benzene
CID 5248482
(3-phenylcyclopenta-1,4-dien-1-yl)benzene
CID 15799127
2,6-bis[4-(4-phenylphenyl)phenyl]-1,4-dithiine
CID 58816776
[(2S,3R,4R)-2-(hydroxymethyl)-4,6-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanol
CID 10425675
(2S,4R)-2,4,6-triphenyl-3,4-dihydro-2H-thiopyran
CID 101223989
(2-phenylcycloprop-2-en-1-yl)benzene
CID 12828641
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
1,1'-biphenyl;molecular hydrogen
CID 173033571
(4R,4aR,8aS)-2,4-diphenyl-4,4a,5,6,7,8-hexahydrothiochromene-8a-thiol
CID 11869864

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-4H-thiopyran?
The IUPAC name of 2,4,6-triphenyl-4H-thiopyran (CID 629780) is 2,4,6-triphenyl-4H-thiopyran.
What is the SMILES notation for 2,4,6-triphenyl-4H-thiopyran?
The canonical SMILES for 2,4,6-triphenyl-4H-thiopyran is C1=C(c2ccccc2)SC(c2ccccc2)=CC1c1ccccc1.
What is the InChIKey of 2,4,6-triphenyl-4H-thiopyran?
The InChIKey is POJUGLCYFXHQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18S/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20/h1-17,21H.
What are the key properties of 2,4,6-triphenyl-4H-thiopyran?
2,4,6-triphenyl-4H-thiopyran has a molecular weight of 326.46 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-4H-thiopyran is sourced from PubChem (CID 629780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).